CID 155819969

6-bromo-n-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine

Structural Information

Molecular Formula
C12H16BrNO
SMILES
CC(C)CNC1COC2=C1C=CC(=C2)Br
InChI
InChI=1S/C12H16BrNO/c1-8(2)6-14-11-7-15-12-5-9(13)3-4-10(11)12/h3-5,8,11,14H,6-7H2,1-2H3
InChIKey
MDTOFMHNYAVKAT-UHFFFAOYSA-N
Compound name
6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.04153 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04881 156.6
[M+Na]+ 292.03075 158.5
[M+NH4]+ 287.07535 161.9
[M+K]+ 308.00469 159.6
[M-H]- 268.03425 158.8
[M+Na-2H]- 290.01620 157.6
[M]+ 269.04098 156.2
[M]- 269.04208 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.